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Added the rest of Andres changes 

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5680 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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athomps 2011-02-21 17:40:36 +00:00
parent 355da9b2ec
commit 123a2f6f57
1 changed files with 3 additions and 1 deletions
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4
src/USER-REAXC/reaxc_valence_angles.cpp
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@ -235,7 +235,9 @@ void Valence_Angles( reax_system *system, control_params *control,
if( (j < system->n) && (BOA_jk > 0.0) &&
(bo_ij->BO * bo_jk->BO > SQR(control->thb_cut)/*0*/) ) {
(bo_ij->BO > control->thb_cut) &&
(bo_jk->BO > control->thb_cut) &&
(bo_ij->BO * bo_jk->BO > 0.001) ) {
r_jk = pbond_jk->d;
thbh = &( system->reax_param.thbp[ type_i ][ type_j ][ type_k ] );